N-[4-(diethylamino)-3-methyl-phenyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(diethylamino)-3-methyl-phenyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(diethylamino)-3-methyl-phenyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[4-(diethylamino)-3-methylphenyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[4-(diethylamino)-3-methylphenyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(diethylamino)-3-methyl-phenyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)OCC)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)OCC)C

InChI

InChI=1S/C22H27N3O2S2/c1-5-25(6-2)19-11-8-16(12-15(19)4)23-21(26)14-28-22-24-18-10-9-17(27-7-3)13-20(18)29-22/h8-13H,5-7,14H2,1-4H3,(H,23,26)